Compound Identification
SMILES
OC1=C2N=CC=CC2=C(C=CC(=O)C2=C3C=CC=NC3=C(O)C=C2)C=C1
InChIKey
InChIKey=ILHSCBUKPNIKOV-UHFFFAOYSA-N
Formula
C21H14N2O3
Mass
342.354
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Hydroxyquinolines 8-hydroxyquinolines Styrenes Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Hydroxyquinoline - 8-hydroxyquinoline - Quinoline - Aryl ketone - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Pyridine - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available